1-(4-Bromophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid CAS 618101-91-0
| CAS No. | 618101-91-0 |
| Molecular Formula | C16H11BrN2O2 |
| Molecular Weight | 343.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(4-Bromophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid.
1-(4-Bromophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618101-91-0) is a high-purity analytical reference standard with the molecular formula C16H11BrN2O2 and a molecular weight of 343.17 g/mol.
Structurally, 1-(4-Bromophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (C16H11BrN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 343.17 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 1-(4-Bromophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H11BrN2O2 |
| Molecular Weight | 343.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- (E)-3-(5-(4-bromophenyl)furan-2-yl)-1-(furan-2-yl)prop-2-en-1-one (CAS 20005-36-1)
- 1-(4-Bromophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (CAS 62160-85-4)
- 3-(2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl)acrylic acid (CAS 824413-88-9)
- 3-(4-Bromophenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid (CAS 372107-34-1)
- 3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618102-61-7)
- 5-(4-Bromophenyl)-1-hydroxy-3-phenyl-1,2-dihydropyrazin-2-one (CAS 339011-12-0)
- N-(3-Bromophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CAS 862813-27-2)
- N-(4-Bromophenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide (CAS 62033-67-4)
Recommended Standards
- (E)-3-(5-bromo-2-((1-ethoxy-1-oxopropan-2-yl)oxy)phenyl)acrylic acid (CAS 937599-40-1)
- 1-[3-bromo-4-(2-methoxyethoxy)phenyl]hexahydropyrimidine-2,4-dione (CAS 2703772-73-8)
- (5-Bromo-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone (CAS 68287-72-9)
- 1-[5-bromo-2-(2-methoxyethoxy)phenyl]hexahydropyrimidine-2,4-dione (CAS 2703771-05-3)
- 6-bromo-N,N-dimethylpyridazin-4-amine (CAS 1619987-51-7)
- 7-{3-[(3-nitropyridin-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CAS 303151-87-3)
- 2,2-Dimethyl-2,3-dihydrobenzofuran-6-amine (CAS 31010-95-4)
- 1-(3-(Trifluoromethyl)benzyl)-1H-indole-3-carbaldehyde (CAS 192997-22-1)
- Antioxidant 245 (CAS 36443-68-2)
- [3-fluoro-4-(2-methyl-1h-imidazol-1-yl)phenyl]methanamine (CAS 1037163-76-0)
- 1-((4-Ethylmorpholin-2-yl)methyl)-1h-1,2,4-triazol-3-amine (CAS 1523098-67-0)
- 1-(2-Hydroxyethyl)-5-phenyl-1H-pyrazole-4-carbonitrile (CAS 27328-72-9)
- 3-(3-((tert-Butoxycarbonyl)amino)-4-chlorophenyl)propanoic acid (CAS 1890418-15-1)
- Semaglutide Impurity 128 (CAS 2490269-78-6)
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